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3,5-dinitro-o-cresol
SpectraBase Compound ID 6c641BcfBxe
InChI InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3
InChIKey KSHJAFFDLKPUMT-UHFFFAOYSA-N
Mol Weight 198.13 g/mol
Molecular Formula C7H6N2O5
Exact Mass 198.027671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUneQ0JaRMM
Name Phenol, 2-methyl-3,5-dinitro-
Alternate Name(s) 2-Methyl-3,5-dinitrophenol 3,5-Dinitro-o-cresol 3,5-Dinitro-ortho-cresol 4,6-Dinitro-2-hydroxytoluene o-Cresol, 3,5-dinitro- AI3-00158 CCRIS 3141 NSC 8734
CAS Registry Number 497-56-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6N2O5
InChI InChI=1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3
InChIKey KSHJAFFDLKPUMT-UHFFFAOYSA-N
Molecular Weight 198.134 g/mol
SMILES Oc1cc(cc(N(=O)=O)c1C)N(=O)=O
SPLASH splash10-0udj-9600000000-f9fb925ccee1d6318e09
Source of Spectrum W5-1989-24569-1
Wiley ID 1194849